1-[2-(3-bromanylphenoxy)ethyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[2-(3-bromophenoxy)ethyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[2-(3-bromophenoxy)ethyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[2-(3-bromophenoxy)ethyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCOC2=CC(=CC=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCOC2=CC(=CC=C2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrN3O3/c1-9-13(17(18)19)10(2)16(15-9)6-7-20-12-5-3-4-11(14)8-12/h3-5,8H,6-7H2,1-2H3